SCHEMBL27217986

SCHEMBL27217986

CC(C)n1cc(Br)c2c(N(C(=O)O)C(=O)OC(C)(C)C)ncnc21

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 5/20 0.35
▸ KDR P35968 4/20 0.35
▸ TEK Q02763 4/20 0.35
▸ RET P07949 4/20 0.34
▸ SRC P12931 3/20 0.34
▸ PDPK1 O15530 2/20 0.32
▸ VCP P55072 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ FLT3 P36888 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30813372 0.94 LCK (0.35) LCKKDRTEKRETSRC
SCHEMBL27217877 0.83 SSTR4 (0.34) LCKTEKSRCPDPK1VCP
SCHEMBL27217869 0.80 USP30 (0.42) LCKKDRTEK
SCHEMBL30813645 0.77 SSTR4 (0.35) LCKTEKSRCPDPK1VCP
SCHEMBL27217681 0.76 KDR (0.37) LCKKDRTEKRETSRC
SCHEMBL20692747 0.75 SRC (0.39) SRCPDPK1
SCHEMBL30813487 0.74 USP30 (0.44) LCKKDRTEKPDPK1
SCHEMBL20874956 0.72 JAK2 (0.41) LCKKDRTEKRETSRC
SCHEMBL27088011 0.72 RET (0.33) RETPDPK1VCPFLT3
SCHEMBL27217988 0.72 RET (0.36) LCKKDRTEKRETSRC

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240158394-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. 2024-05-16 — — US disclosed
WO-2024059200-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2024-03-21 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240158394-A1 NEK7 INHIBITORS NEK7, NEK5, NEK1 LCK 3171/4885KDR 4752/4885TEK 4263/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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